2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one

C11H15N3O2 — CID 110848894

IUPAC2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-8-12-7-9(10(15)13-8)11(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,15)
InChIKeyZFYQCLKNHLNHQO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.70
Rot. Bonds1

About 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one

2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110848894) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110848894
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-8-12-7-9(10(15)13-8)11(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,15)
InChIKeyZFYQCLKNHLNHQO-UHFFFAOYSA-N
XLogP0.70
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6,7,8,9-tetrahydro-6-methyl-4-oxo-
CID 118083
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13480639
(3S)-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile
CID 124906952
1-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide;methyl sulfate
CID 134920138
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
(9E)-9-hydrazinylidene-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13218245
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
9-hydrazono-6-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 57197527
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135222505
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
2,3-Dimethyl-5-(piperidin-1-ylmethyl)pyrimidin-4-one
CID 141822497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 110848894) is 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is ZFYQCLKNHLNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-12-7-9(10(15)13-8)11(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110848894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).